6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C35H43ClN10O — CID 134177012

About 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177012) has the molecular formula C35H43ClN10O and a molecular weight of 655.25 g/mol. Its IUPAC name is 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134177012
• Molecular Formula: C35H43ClN10O
• Molecular Weight: 655.25 g/mol
• Exact Mass: 654.33
• IUPAC Name: 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: COc1ccc(CN2CCC(Nc3c(Cl)cnc4nc(-c5ccc(N6CCN(CCNc7ccnn7C)CC6)cc5)[nH]c34)CC2)cc1
• InChI: InChI=1S/C35H43ClN10O/c1-43-31(11-14-39-43)37-15-18-44-19-21-46(22-20-44)28-7-5-26(6-8-28)34-41-33-32(30(36)23-38-35(33)42-34)40-27-12-16-45(17-13-27)24-25-3-9-29(47-2)10-4-25/h3-11,14,23,27,37H,12-13,15-22,24H2,1-2H3,(H2,38,40,41,42)
• InChIKey: NDBOTZKFZSNMPS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 102.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.25
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177012) is 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc(CN2CCC(Nc3c(Cl)cnc4nc(-c5ccc(N6CCN(CCNc7ccnn7C)CC6)cc5)[nH]c34)CC2)cc1.

What is the InChIKey of 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is NDBOTZKFZSNMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43ClN10O/c1-43-31(11-14-39-43)37-15-18-44-19-21-46(22-20-44)28-7-5-26(6-8-28)34-41-33-32(30(36)23-38-35(33)42-34)40-27-12-16-45(17-13-27)24-25-3-9-29(47-2)10-4-25/h3-11,14,23,27,37H,12-13,15-22,24H2,1-2H3,(H2,38,40,41,42).

What are the key properties of 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 655.25 g/mol, XLogP of 5.33, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).